2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole

C17H24N4OS — CID 118745945

IUPAC2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole
SMILESCCOCC1c2c(cnn2CC2CC2)CCN1Cc1nccs1
InChIInChI=1S/C17H24N4OS/c1-2-22-12-15-17-14(9-19-21(17)10-13-3-4-13)5-7-20(15)11-16-18-6-8-23-16/h6,8-9,13,15H,2-5,7,10-12H2,1H3
InChIKeyWMFUXNCJPLLORC-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.89
Rot. Bonds7

About 2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole

2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole (PubChem CID 118745945) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole
PubChem CID118745945
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole
SMILESCCOCC1c2c(cnn2CC2CC2)CCN1Cc1nccs1
InChIInChI=1S/C17H24N4OS/c1-2-22-12-15-17-14(9-19-21(17)10-13-3-4-13)5-7-20(15)11-16-18-6-8-23-16/h6,8-9,13,15H,2-5,7,10-12H2,1H3
InChIKeyWMFUXNCJPLLORC-UHFFFAOYSA-N
XLogP2.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole (CID 118745945) is 2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole is CCOCC1c2c(cnn2CC2CC2)CCN1Cc1nccs1.
What is the InChIKey of 2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
The InChIKey is WMFUXNCJPLLORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-2-22-12-15-17-14(9-19-21(17)10-13-3-4-13)5-7-20(15)11-16-18-6-8-23-16/h6,8-9,13,15H,2-5,7,10-12H2,1H3.
What are the key properties of 2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole has a molecular weight of 332.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropylmethyl)-7-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 118745945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).